5HHV
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7LEM
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![BU of 7lem by Molmil](/molmil-images/mine/7lem) | Crystal structure of the first bromodomain (BD1) of human BRDT bound to LRRK2-IN-1 | 分子名称: | 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain testis-specific protein | 著者 | Chan, A, Karim, M.R, Schonbrunn, E. | 登録日 | 2021-01-14 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7MRC
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7MRD
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![BU of 7mrd by Molmil](/molmil-images/mine/7mrd) | Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-II-082 | 分子名称: | Bromodomain testis-specific protein, N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide} | 著者 | Chan, A, Schonbrunn, E. | 登録日 | 2021-05-07 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity. J.Med.Chem., 65, 2022
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7MRH
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7MRG
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1EII
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![BU of 1eii by Molmil](/molmil-images/mine/1eii) | NMR STRUCTURE OF HOLO CELLULAR RETINOL-BINDING PROTEIN II | 分子名称: | CELLULAR RETINOL-BINDING PROTEIN II, RETINOL | 著者 | Lu, J, Lin, C.L, Tang, C, Ponder, J.W, Kao, J.L, Cistola, D.P, Li, E. | 登録日 | 2000-02-25 | 公開日 | 2000-08-09 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Binding of retinol induces changes in rat cellular retinol-binding protein II conformation and backbone dynamics. J.Mol.Biol., 300, 2000
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8CUB
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4WDT
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![BU of 4wdt by Molmil](/molmil-images/mine/4wdt) | 17beta-HSD5 in complex with 2-nitro-5-(phenylsulfonyl)phenol | 分子名称: | 2-nitro-5-(phenylsulfonyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Amano, Y, Yamaguchi, T. | 登録日 | 2014-09-09 | 公開日 | 2015-04-15 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
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7BJY
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![BU of 7bjy by Molmil](/molmil-images/mine/7bjy) | Crystal structure of the first bromodomain (BD1) of human BRDT bound to Ro3280 | 分子名称: | 1,2-ETHANEDIOL, 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Isoform 2 of Bromodomain testis-specific protein | 著者 | Chan, A, Karim, M.R, Schonbrunn, E. | 登録日 | 2021-01-14 | 公開日 | 2021-08-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7ERL
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2J8U
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![BU of 2j8u by Molmil](/molmil-images/mine/2j8u) | Large CDR3a loop alteration as a function of MHC mutation. | 分子名称: | AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, Beta-2-microglobulin, ... | 著者 | Miller, P.J, Benhar, Y.P, Biddison, W, Collins, E.J. | 登録日 | 2006-10-27 | 公開日 | 2007-10-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Single MHC mutation eliminates enthalpy associated with T cell receptor binding. J. Mol. Biol., 373, 2007
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6F78
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![BU of 6f78 by Molmil](/molmil-images/mine/6f78) | Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: Application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid | 分子名称: | 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one, Aldo-keto reductase family 1 member C3, CHLORIDE ION, ... | 著者 | Goyal, P, Wahlgren, W.Y, Friemann, R. | 登録日 | 2017-12-07 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem, 150, 2018
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6F2U
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![BU of 6f2u by Molmil](/molmil-images/mine/6f2u) | Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid | 分子名称: | 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Goyal, P, Wahlgren, W.Y, Friemann, R. | 登録日 | 2017-11-27 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem, 150, 2018
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1XF0
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![BU of 1xf0 by Molmil](/molmil-images/mine/1xf0) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) complexed with delta4-androstene-3,17-dione and NADP | 分子名称: | 4-ANDROSTENE-3-17-DIONE, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | 著者 | Qiu, W, Zhou, M, Labrie, F, Lin, S.-X. | 登録日 | 2004-09-13 | 公開日 | 2004-10-26 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures of the multispecific 17beta-hydroxysteroid dehydrogenase type 5: critical androgen regulation in human peripheral tissues Mol.Endocrinol., 18, 2004
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1DMQ
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![BU of 1dmq by Molmil](/molmil-images/mine/1dmq) | CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B | 分子名称: | STEROID DELTA-ISOMERASE | 著者 | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | 登録日 | 1999-12-14 | 公開日 | 2000-05-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B. Biochemistry, 39, 2000
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4V0P
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![BU of 4v0p by Molmil](/molmil-images/mine/4v0p) | Crystal structure of the MAGE homology domain of human MAGE-A3 | 分子名称: | MELANOMA-ASSOCIATED ANTIGEN 3 | 著者 | Newman, J.A, Aitkenhead, H, Cooper, C.D.O, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2014-09-17 | 公開日 | 2014-10-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding. Plos One, 11, 2016
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1DMM
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![BU of 1dmm by Molmil](/molmil-images/mine/1dmm) | CRYSTAL STRUCTURES OF MUTANT ENZYMES Y57F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B | 分子名称: | STEROID DELTA-ISOMERASE | 著者 | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | 登録日 | 1999-12-14 | 公開日 | 2000-05-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B. Biochemistry, 39, 2000
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1DMN
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![BU of 1dmn by Molmil](/molmil-images/mine/1dmn) | CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F/Y57F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B | 分子名称: | STEROID DELTA-ISOMERASE | 著者 | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | 登録日 | 1999-12-14 | 公開日 | 2000-05-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B. Biochemistry, 39, 2000
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1B1G
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2XYD
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![BU of 2xyd by Molmil](/molmil-images/mine/2xyd) | human Angiotenisn converting enzyme N-domain in complex with Phosphinic tripeptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ... | 著者 | Akif, M, Schwager, S.L, Anthony, C.S, Czarny, B, Beau, F, Dive, V, Sturrock, E.D, Acharya, K.R. | 登録日 | 2010-11-17 | 公開日 | 2011-05-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Novel Mechanism of Inhibition of Human Angiotensin-I-Converting Enzyme (Ace) by a Highly Specific Phosphinic Tripeptide. Biochem.J., 436, 2011
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6AT5
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7A5O
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![BU of 7a5o by Molmil](/molmil-images/mine/7a5o) | Human MUC2 AAs 21-1397 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Javitt, G, Khmelnitsky, L, Albert, L, Elad, N, Ilani, T, Diskin, R, Fass, D. | 登録日 | 2020-08-21 | 公開日 | 2020-10-21 | 最終更新日 | 2020-11-11 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | Assembly Mechanism of Mucin and von Willebrand Factor Polymers. Cell, 183, 2020
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7SLA
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![BU of 7sla by Molmil](/molmil-images/mine/7sla) | CryoEM structure of SGLT1 at 3.15 Angstrom resolution | 分子名称: | CHOLESTEROL HEMISUCCINATE, Sodium/glucose cotransporter 1, nanobody Nb1 | 著者 | Qu, Q, Han, L, Panova, O, Feng, L, Skiniotis, G. | 登録日 | 2021-10-23 | 公開日 | 2021-12-15 | 最終更新日 | 2022-01-26 | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | 主引用文献 | Structure and mechanism of the SGLT family of glucose transporters. Nature, 601, 2022
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7SL8
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![BU of 7sl8 by Molmil](/molmil-images/mine/7sl8) | CryoEM structure of SGLT1 at 3.4 A resolution | 分子名称: | CHOLESTEROL, Sodium/glucose cotransporter 1, nanobody Nb1 | 著者 | Qu, Q, Han, L, Panova, O, Feng, L, Skiniotis, G. | 登録日 | 2021-10-23 | 公開日 | 2021-12-15 | 最終更新日 | 2022-01-26 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structure and mechanism of the SGLT family of glucose transporters. Nature, 601, 2022
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